SCHEMBL58233

SCHEMBL58233

CCC(CC)(NC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.36
ALDH1A1 P00352 2/20 0.33
FFAR3 O14843 1/20 0.33
ARG2 P78540 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3607012 0.97 ARG1 (0.35) ARG1ALDH1A1FFAR3ARG2MEN1
SCHEMBL3457456 0.85 ARG1 (0.36) ARG1ALDH1A1ARG2MEN1CYP1A2
SCHEMBL18355989 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28465870 0.76 LMNA (0.48) ARG1ALDH1A1ARG2CYP1A2CYP2D6
SCHEMBL17371358 0.76 ALDH1A1 (0.32) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL2590837 0.74 FFAR3 (0.36) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL29869191 0.74 ARG1 (0.38) ARG1ARG2
SCHEMBL12201567 0.74 DGAT1 (0.34) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL28528880 0.74 ARG1 (0.31) ARG1
SCHEMBL30086069 0.72 ALDH1A1 (0.33) ALDH1A1FFAR3MEN1CYP1A2THRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759285-B2 Mixture of a salt of 3-(dimethylamino)-2-(hydroxyl)-butylate and an amine compound of 3,3'-diaminopropylamine, 4-aminomethylpiperidine, or 2-aminomethylpiperidine which promotes the reaction KOREA ELECTRIC POWER CORPORATION (KR) 2010-07-20 US claimed
CN-101190397-A Absorbent for separation of carbon dioxide KOREA ELECTRIC POWER CORP (KR) 2008-06-04 CN claimed
US-20080125314-A1 Mixture of a salt of 3-(dimethylamino)-2-(hydroxyl)-butylate and an amine compound of 3,3'-diaminopropylamine, 4-aminomethylpiperidine, or 2-aminomethylpiperidine which promotes the reaction KOREA ELECTRIC POWER CORPORATION (KR) 2008-05-29 US claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD (JP) 2014-10-16 US disclosed
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD (JP) 2014-10-16 US disclosed
US-8633224-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI CO., LTD. (JP) 2014-01-21 US disclosed
US-8633224-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI CO., LTD. (JP) 2014-01-21 US disclosed
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 US disclosed
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 US disclosed
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
US-7528152-B2 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells EISAI CO., LTD. (JP) 2009-05-05 US disclosed
CN-101190397-A Absorbent for separation of carbon dioxide KOREA ELECTRIC POWER CORP (KR) 2008-06-04 CN disclosed
US-20080125314-A1 Mixture of a salt of 3-(dimethylamino)-2-(hydroxyl)-butylate and an amine compound of 3,3'-diaminopropylamine, 4-aminomethylpiperidine, or 2-aminomethylpiperidine which promotes the reaction KOREA ELECTRIC POWER CORPORATION (KR) 2008-05-29 US disclosed
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof EISAI CO., LTD. (JP) 2008-05-08 US disclosed
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof EISAI CO., LTD. (JP) 2008-05-08 US disclosed
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells EISAI CO., LTD. (JP) 2008-02-28 US disclosed
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells EISAI CO., LTD. (JP) 2008-02-28 US disclosed
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 US disclosed
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS ARG1 3026/4885ALDH1A1 1175/4885FFAR3 1682/4885
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS ARG1 2962/4885ALDH1A1 1088/4885FFAR3 2145/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS ARG1 2962/4885ALDH1A1 1088/4885FFAR3 2145/4885
US-20080125314-A1 Mixture of a salt of 3-(dimethylamino)-2-(hydroxyl)-butylate and an amine compound of 3,3'-diaminopropylamine, 4-aminomethylpiperidine, or 2-aminomethylpiperidine which promotes the reaction SLC7A1, ALDH7A1, DDC ARG1 326/4885ALDH1A1 106/4885FFAR3 2086/4885
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells DHCR7, CYP46A1, NR1H2 ARG1 1946/4885ALDH1A1 3053/4885FFAR3 1758/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.